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Molecular simulation study of interactions of carbon dioxide and water with ionic liquids
被引:94
作者
:
Deschamps, J
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymers, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymers, F-63177 Clermont Ferrand, France
Deschamps, J
[
1
]
Gomes, MFC
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymers, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymers, F-63177 Clermont Ferrand, France
Gomes, MFC
[
1
]
Pádua, AAH
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymers, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymers, F-63177 Clermont Ferrand, France
Pádua, AAH
[
1
]
机构
:
[1]
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymers, F-63177 Clermont Ferrand, France
来源
:
CHEMPHYSCHEM
|
2004年
/ 5卷
/ 07期
关键词
:
carbon dioxide;
ionic liquids;
molecular simulation;
solvent effects;
water;
D O I
:
10.1002/cphc.200400097
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
Simulating solubilities in green solvents: Molecular simulations have been used to predict qualitatively the solubility of several small molecules (see picture) in imidazolium-based ionic liquids.
引用
收藏
页码:1049 / 1052
页数:4
相关论文
共 26 条
[1]
The role of hydrogen bonding in controlling the selectivity of Diels-Alder reactions in room-temperature ionic liquids
[J].
Aggarwal, A
论文数:
0
引用数:
0
h-index:
0
机构:
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Aggarwal, A
;
Lancaster, NL
论文数:
0
引用数:
0
h-index:
0
机构:
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Lancaster, NL
;
Sethi, AR
论文数:
0
引用数:
0
h-index:
0
机构:
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Sethi, AR
;
Welton, T
论文数:
0
引用数:
0
h-index:
0
机构:
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Welton, T
.
GREEN CHEMISTRY,
2002,
4
(05)
:517
-520
[2]
Solution thermodynamics of imidazolium-based ionic liquids and water
[J].
Anthony, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Anthony, JL
;
Maginn, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Maginn, EJ
;
Brennecke, JF
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Brennecke, JF
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2001,
105
(44)
:10942
-10949
[3]
Solubilities and thermodynamic properties of gases in the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate
[J].
Anthony, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Anthony, JL
;
Maginn, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Maginn, EJ
;
Brennecke, JF
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Brennecke, JF
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2002,
106
(29)
:7315
-7320
[4]
High-pressure phase behavior of ionic liquid/CO2 systems
[J].
Blanchard, LA
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Blanchard, LA
;
Gu, ZY
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Gu, ZY
;
Brennecke, JF
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Brennecke, JF
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2001,
105
(12)
:2437
-2444
[5]
Solubility of oxygen, carbon dioxide and water in sernifluorinated alkanes and in perfluorooctylbromide by molecular simulation
[J].
Deschamps, J
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Deschamps, J
;
Gomes, MC
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Gomes, MC
;
Pádua, AAH
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Pádua, AAH
.
JOURNAL OF FLUORINE CHEMISTRY,
2004,
125
(03)
:409
-413
[6]
DESCHAMPS J, 2004, IN PRESS ACS S SER, V857
[7]
INTERACTIONS OF GASES IN IONIC LIQUIDS .1. SOLUBILITY OF NONPOLAR GASES IN MOLTEN SODIUM NITRATE
[J].
FIELD, PE
论文数:
0
引用数:
0
h-index:
0
FIELD, PE
;
GREEN, WJ
论文数:
0
引用数:
0
h-index:
0
GREEN, WJ
.
JOURNAL OF PHYSICAL CHEMISTRY,
1971,
75
(06)
:821
-&
[8]
Interactions of carbon dioxide with liquid fluorocarbons
[J].
Gomes, MFC
论文数:
0
引用数:
0
h-index:
0
机构:
CNRS, UMR 6003, Lab Thermodynam & Solut & Polymeres, F-63177 Aubiere, France
Gomes, MFC
;
Pádua, AAH
论文数:
0
引用数:
0
h-index:
0
机构:
CNRS, UMR 6003, Lab Thermodynam & Solut & Polymeres, F-63177 Aubiere, France
Pádua, AAH
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2003,
107
(50)
:14020
-14024
[9]
A simulation study of water-dialkylimidazolium ionic liquid mixtures
[J].
Hanke, CG
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Hanke, CG
;
Lynden-Bell, RM
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Lynden-Bell, RM
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2003,
107
(39)
:10873
-10878
[10]
Solvation of small molecules in imidazolium ionic liquids: a simulation study
[J].
Hanke, CG
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Hanke, CG
;
Atamas, NA
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Atamas, NA
;
Lynden-Bell, RM
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Lynden-Bell, RM
.
GREEN CHEMISTRY,
2002,
4
(02)
:107
-111
←
1
2
3
→
共 26 条
[1]
The role of hydrogen bonding in controlling the selectivity of Diels-Alder reactions in room-temperature ionic liquids
[J].
Aggarwal, A
论文数:
0
引用数:
0
h-index:
0
机构:
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Aggarwal, A
;
Lancaster, NL
论文数:
0
引用数:
0
h-index:
0
机构:
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Lancaster, NL
;
Sethi, AR
论文数:
0
引用数:
0
h-index:
0
机构:
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Sethi, AR
;
Welton, T
论文数:
0
引用数:
0
h-index:
0
机构:
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Univ London Imperial Coll Sci & Technol, Dept Chem, London SW7 2AY, England
Welton, T
.
GREEN CHEMISTRY,
2002,
4
(05)
:517
-520
[2]
Solution thermodynamics of imidazolium-based ionic liquids and water
[J].
Anthony, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Anthony, JL
;
Maginn, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Maginn, EJ
;
Brennecke, JF
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Brennecke, JF
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2001,
105
(44)
:10942
-10949
[3]
Solubilities and thermodynamic properties of gases in the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate
[J].
Anthony, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Anthony, JL
;
Maginn, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Maginn, EJ
;
Brennecke, JF
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Brennecke, JF
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2002,
106
(29)
:7315
-7320
[4]
High-pressure phase behavior of ionic liquid/CO2 systems
[J].
Blanchard, LA
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Blanchard, LA
;
Gu, ZY
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Gu, ZY
;
Brennecke, JF
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA
Brennecke, JF
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2001,
105
(12)
:2437
-2444
[5]
Solubility of oxygen, carbon dioxide and water in sernifluorinated alkanes and in perfluorooctylbromide by molecular simulation
[J].
Deschamps, J
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Deschamps, J
;
Gomes, MC
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Gomes, MC
;
Pádua, AAH
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut Polymeres, F-63177 Clermont Ferrand, France
Pádua, AAH
.
JOURNAL OF FLUORINE CHEMISTRY,
2004,
125
(03)
:409
-413
[6]
DESCHAMPS J, 2004, IN PRESS ACS S SER, V857
[7]
INTERACTIONS OF GASES IN IONIC LIQUIDS .1. SOLUBILITY OF NONPOLAR GASES IN MOLTEN SODIUM NITRATE
[J].
FIELD, PE
论文数:
0
引用数:
0
h-index:
0
FIELD, PE
;
GREEN, WJ
论文数:
0
引用数:
0
h-index:
0
GREEN, WJ
.
JOURNAL OF PHYSICAL CHEMISTRY,
1971,
75
(06)
:821
-&
[8]
Interactions of carbon dioxide with liquid fluorocarbons
[J].
Gomes, MFC
论文数:
0
引用数:
0
h-index:
0
机构:
CNRS, UMR 6003, Lab Thermodynam & Solut & Polymeres, F-63177 Aubiere, France
Gomes, MFC
;
Pádua, AAH
论文数:
0
引用数:
0
h-index:
0
机构:
CNRS, UMR 6003, Lab Thermodynam & Solut & Polymeres, F-63177 Aubiere, France
Pádua, AAH
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2003,
107
(50)
:14020
-14024
[9]
A simulation study of water-dialkylimidazolium ionic liquid mixtures
[J].
Hanke, CG
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Hanke, CG
;
Lynden-Bell, RM
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Lynden-Bell, RM
.
JOURNAL OF PHYSICAL CHEMISTRY B,
2003,
107
(39)
:10873
-10878
[10]
Solvation of small molecules in imidazolium ionic liquids: a simulation study
[J].
Hanke, CG
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Hanke, CG
;
Atamas, NA
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Atamas, NA
;
Lynden-Bell, RM
论文数:
0
引用数:
0
h-index:
0
机构:
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Queens Univ Belfast, Sch Math & Phys, Atom Simulat Grp, Belfast BT7 1NN, Antrim, North Ireland
Lynden-Bell, RM
.
GREEN CHEMISTRY,
2002,
4
(02)
:107
-111
←
1
2
3
→